Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL607158

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(C(=O)/C=C/c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL607158
Phase Preclinical
Structure Type MOL
InChI Key YARXSQHGGKDVBE-UUWJFWACSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
4.87
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26Cl2N2O
MW 381.35
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.35

Activity Summary

IC50 1 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sigma non-opioid intracellular receptor 1
CHEMBL287
 IC50 5.44 5.44 3650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sigma non-opioid intracellular receptor 1 IC50 = 3650.0 nM 5.44 Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand 2172538

Literature References

PubMed DOI Target Context # Activities
2172538 10.1021/jm00173a030 Kappa-type opioid receptor 2
2172538 10.1021/jm00173a030 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine